6-methyl-3-[1-[6-methyl-2-(1-methylindazol-3-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid

C27H24N4O4 — CID 166146692

About 6-methyl-3-[1-[6-methyl-2-(1-methylindazol-3-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid

6-methyl-3-[1-[6-methyl-2-(1-methylindazol-3-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid (PubChem CID 166146692) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is 6-methyl-3-[1-[6-methyl-2-(1-methylindazol-3-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-methyl-3-[1-[6-methyl-2-(1-methylindazol-3-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid
• PubChem CID: 166146692
• Molecular Formula: C27H24N4O4
• Molecular Weight: 468.51 g/mol
• Exact Mass: 468.18
• IUPAC Name: 6-methyl-3-[1-[6-methyl-2-(1-methylindazol-3-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid
• SMILES: Cc1cc(C(C)Nc2ccc(C)nc2C(=O)O)c2oc(-c3nn(C)c4ccccc34)cc(=O)c2c1
• InChI: InChI=1S/C27H24N4O4/c1-14-11-18(16(3)29-20-10-9-15(2)28-25(20)27(33)34)26-19(12-14)22(32)13-23(35-26)24-17-7-5-6-8-21(17)31(4)30-24/h5-13,16,29H,1-4H3,(H,33,34)
• InChIKey: IZUDNSUAMAEZHV-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 110.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.51
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[1-[6-methyl-2-(1-methylindazol-3-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid?

The IUPAC name of 6-methyl-3-[1-[6-methyl-2-(1-methylindazol-3-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid (CID 166146692) is 6-methyl-3-[1-[6-methyl-2-(1-methylindazol-3-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid.

What is the SMILES notation for 6-methyl-3-[1-[6-methyl-2-(1-methylindazol-3-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid?

The canonical SMILES for 6-methyl-3-[1-[6-methyl-2-(1-methylindazol-3-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid is Cc1cc(C(C)Nc2ccc(C)nc2C(=O)O)c2oc(-c3nn(C)c4ccccc34)cc(=O)c2c1.

What is the InChIKey of 6-methyl-3-[1-[6-methyl-2-(1-methylindazol-3-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid?

The InChIKey is IZUDNSUAMAEZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4/c1-14-11-18(16(3)29-20-10-9-15(2)28-25(20)27(33)34)26-19(12-14)22(32)13-23(35-26)24-17-7-5-6-8-21(17)31(4)30-24/h5-13,16,29H,1-4H3,(H,33,34).

What are the key properties of 6-methyl-3-[1-[6-methyl-2-(1-methylindazol-3-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid?

6-methyl-3-[1-[6-methyl-2-(1-methylindazol-3-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid has a molecular weight of 468.51 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-3-[1-[6-methyl-2-(1-methylindazol-3-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 166146692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).